Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50014085'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50014085 ((S)-N-[(S)-1-[(1S,2R)-1-Cyclohexylmethyl-2-((S)-3-...) Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)N(C)CCOCOCCOC Show InChI InChI=1S/C38H59N7O10/c1-5-45-23-33(55-38(45)50)34(46)30(19-26-9-7-6-8-10-26)41-36(48)32(21-28-22-39-24-40-28)42-35(47)31(20-27-11-13-29(52-4)14-12-27)43-37(49)44(2)15-16-53-25-54-18-17-51-3/h11-14,22,24,26,30-34,46H,5-10,15-21,23,25H2,1-4H3,(H,39,40)(H,41,48)(H,42,47)(H,43,49)/t30-,31-,32-,33-,34+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	6.5	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against purified human renal renin at pH 6.5				J Med Chem 33: 1962-9 (1990) BindingDB Entry DOI: 10.7270/Q2KW5GN2
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50014085 ((S)-N-[(S)-1-[(1S,2R)-1-Cyclohexylmethyl-2-((S)-3-...) Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)N(C)CCOCOCCOC Show InChI InChI=1S/C38H59N7O10/c1-5-45-23-33(55-38(45)50)34(46)30(19-26-9-7-6-8-10-26)41-36(48)32(21-28-22-39-24-40-28)42-35(47)31(20-27-11-13-29(52-4)14-12-27)43-37(49)44(2)15-16-53-25-54-18-17-51-3/h11-14,22,24,26,30-34,46H,5-10,15-21,23,25H2,1-4H3,(H,39,40)(H,41,48)(H,42,47)(H,43,49)/t30-,31-,32-,33-,34+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin at pH 7.4				J Med Chem 33: 1962-9 (1990) BindingDB Entry DOI: 10.7270/Q2KW5GN2
					More data for this Ligand-Target Pair